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FDA-ZINC03830601 |
MMsINC code: MMs01726504 |
Type: Neutral Formula: C21H28O5
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Potential Energy Epot(MMFF94)=142.798 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 360.45 g/mol | logS: -2.82896 | SlogP: 1.9898 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.205393 | Sterimol/B1: 2.9801 | Sterimol/B2: 3.18929 | Sterimol/B3: 5.43884 | |||
Sterimol/B4: 5.74597 | Sterimol/L: 14.3173 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 540.639 | Positive charged surface: 354.433 | Negative charged surface: 186.206 | Volume: 339.5 | |||
Hydrophobic surface: 353.186 | Hydrophilic surface: 187.453 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 5 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 6 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 0 | Oprea's lead like rule: 1 |
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